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2-{2,6-Dimethoxy-4-[(2,2-bis(ethoxycarbonyl)ethyl]phenyl}-1,10-phenanthroline
SpectraBase Compound ID 56ayfX3IfX3
InChI InChI=1S/C28H28N2O6/c1-5-35-27(31)20(28(32)36-6-2)14-17-15-22(33-3)24(23(16-17)34-4)21-12-11-19-10-9-18-8-7-13-29-25(18)26(19)30-21/h7-13,15-16,20H,5-6,14H2,1-4H3
InChIKey LDMYBTCOODAEPP-UHFFFAOYSA-N
Mol Weight 488.54 g/mol
Molecular Formula C28H28N2O6
Exact Mass 488.194737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1CIu6a28tU
Name 2-{2,6-Dimethoxy-4-[(2,2-bis(ethoxycarbonyl)ethyl]phenyl}-1,10-phenanthroline
Alternate Name(s) 2-[[3,5-dimethoxy-4-(1,10-phenanthrolin-2-yl)phenyl]methyl]propanedioic acid diethyl ester Diethyl 2-[[3,5-dimethoxy-4-(1,10-phenanthrolin-2-yl)phenyl]methyl]propanedioate
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Formula C28H28N2O6
InChI InChI=1S/C28H28N2O6/c1-5-35-27(31)20(28(32)36-6-2)14-17-15-22(33-3)24(23(16-17)34-4)21-12-11-19-10-9-18-8-7-13-29-25(18)26(19)30-21/h7-13,15-16,20H,5-6,14H2,1-4H3
InChIKey LDMYBTCOODAEPP-UHFFFAOYSA-N
Molecular Weight 488.540 g/mol
SMILES c1(nc2c(cc1)ccc1cccnc21)-c1c(cc(cc1OC)CC(C(=O)OCC)C(=O)OCC)OC
SPLASH splash10-0079-0000900000-fbbcecb7729e374d3af4
Source of Spectrum U1-2002-3300-17
Wiley ID 1523246